3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol

C15H17F7O — CID 156764154

IUPAC3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
SMILESCC(C)Cc1cccc(C(O)CC(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C15H17F7O/c1-9(2)6-10-4-3-5-11(7-10)12(23)8-13(16,14(17,18)19)15(20,21)22/h3-5,7,9,12,23H,6,8H2,1-2H3
InChIKeyGCFLZGNVRVIZQT-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.14
Rot. Bonds5

About 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol

3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol (PubChem CID 156764154) has the molecular formula C15H17F7O and a molecular weight of 346.29 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
PubChem CID156764154
Molecular FormulaC15H17F7O
Molecular Weight346.29 g/mol
Exact Mass346.12
IUPAC Name3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
SMILESCC(C)Cc1cccc(C(O)CC(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C15H17F7O/c1-9(2)6-10-4-3-5-11(7-10)12(23)8-13(16,14(17,18)19)15(20,21)22/h3-5,7,9,12,23H,6,8H2,1-2H3
InChIKeyGCFLZGNVRVIZQT-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4,4-pentafluoro-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 156764542
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
1-(3-ethylphenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763031
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-methoxydecyl)-3-(2-methylpropyl)benzene
CID 156763645
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol?
The IUPAC name of 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol (CID 156764154) is 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol is CC(C)Cc1cccc(C(O)CC(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol?
The InChIKey is GCFLZGNVRVIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7O/c1-9(2)6-10-4-3-5-11(7-10)12(23)8-13(16,14(17,18)19)15(20,21)22/h3-5,7,9,12,23H,6,8H2,1-2H3.
What are the key properties of 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol?
3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol has a molecular weight of 346.29 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 156764154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).