1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol

C14H18F2O — CID 106663829

IUPAC1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2O/c1-9-7-13(2,3)8-14(9,17)11-5-4-10(15)6-12(11)16/h4-6,9,17H,7-8H2,1-3H3
InChIKeyHIUFTYHXMPLVRK-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.61
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol

1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol (PubChem CID 106663829) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
PubChem CID106663829
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2O/c1-9-7-13(2,3)8-14(9,17)11-5-4-10(15)6-12(11)16/h4-6,9,17H,7-8H2,1-3H3
InChIKeyHIUFTYHXMPLVRK-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663637
1-(4-bromo-3-chloro-2-fluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106761590
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409045
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106941537
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol
CID 63406868
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 106663884
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol (CID 106663829) is 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)CC1(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is HIUFTYHXMPLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-9-7-13(2,3)8-14(9,17)11-5-4-10(15)6-12(11)16/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol?
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 106663829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).