(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol

C14H11F7O2 — CID 134259153

IUPAC(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OC3CC(F)(F)C3)c2CC1(F)F
InChIInChI=1S/C14H11F7O2/c15-12(16)3-6(4-12)23-9-2-1-8(14(19,20)21)10-7(9)5-13(17,18)11(10)22/h1-2,6,11,22H,3-5H2/t11-/m0/s1
InChIKeyBPNNXKFIKUVSMH-NSHDSACASA-N
MW344.23 g/mol
LogP4.11
Rot. Bonds2

About (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol

(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol (PubChem CID 134259153) has the molecular formula C14H11F7O2 and a molecular weight of 344.23 g/mol. Its IUPAC name is (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
PubChem CID134259153
Molecular FormulaC14H11F7O2
Molecular Weight344.23 g/mol
Exact Mass344.06
IUPAC Name(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
SMILESO[C@H]1c2c(C(F)(F)F)ccc(OC3CC(F)(F)C3)c2CC1(F)F
InChIInChI=1S/C14H11F7O2/c15-12(16)3-6(4-12)23-9-2-1-8(14(19,20)21)10-7(9)5-13(17,18)11(10)22/h1-2,6,11,22H,3-5H2/t11-/m0/s1
InChIKeyBPNNXKFIKUVSMH-NSHDSACASA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl] hypoiodite
CID 134260171
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
CID 145152946
2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol
CID 145153676
(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134248619
(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 171619724
(1S)-2,2-difluoro-4-(3-methoxycyclobutyl)oxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134259275
7-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-4-(trifluoromethyl)-1-benzofuran-3-one
CID 134254632
2,2-difluoro-4-(2-hydroxycyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 176654016
(1S)-2,2-difluoro-4-(3-fluorocyclobutyl)oxy-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 134260325
6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523519
4-(3,3-difluorocyclobutyl)oxy-2,2,3-trifluoro-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122515544

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The IUPAC name of (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol (CID 134259153) is (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol is O[C@H]1c2c(C(F)(F)F)ccc(OC3CC(F)(F)C3)c2CC1(F)F.
What is the InChIKey of (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
The InChIKey is BPNNXKFIKUVSMH-NSHDSACASA-N. The full InChI is InChI=1S/C14H11F7O2/c15-12(16)3-6(4-12)23-9-2-1-8(14(19,20)21)10-7(9)5-13(17,18)11(10)22/h1-2,6,11,22H,3-5H2/t11-/m0/s1.
What are the key properties of (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol?
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol has a molecular weight of 344.23 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).