7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol

C14H18F4O — CID 115516102

IUPAC7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)CCCC(F)(F)F
InChIInChI=1S/C14H18F4O/c1-13(2,10-5-7-11(15)8-6-10)12(19)4-3-9-14(16,17)18/h5-8,12,19H,3-4,9H2,1-2H3
InChIKeyFXCVFCRAFNNJAY-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.20
Rot. Bonds5

About 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol

7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol (PubChem CID 115516102) has the molecular formula C14H18F4O and a molecular weight of 278.29 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
PubChem CID115516102
Molecular FormulaC14H18F4O
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC Name7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)CCCC(F)(F)F
InChIInChI=1S/C14H18F4O/c1-13(2,10-5-7-11(15)8-6-10)12(19)4-3-9-14(16,17)18/h5-8,12,19H,3-4,9H2,1-2H3
InChIKeyFXCVFCRAFNNJAY-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol?
The IUPAC name of 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol (CID 115516102) is 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol.
What is the SMILES notation for 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol?
The canonical SMILES for 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol is CC(C)(c1ccc(F)cc1)C(O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol?
The InChIKey is FXCVFCRAFNNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O/c1-13(2,10-5-7-11(15)8-6-10)12(19)4-3-9-14(16,17)18/h5-8,12,19H,3-4,9H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol?
7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol has a molecular weight of 278.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol is sourced from PubChem (CID 115516102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).