1-[3-(trifluoromethyl)phenyl]heptan-4-ol

C14H19F3O — CID 64513695

IUPAC1-[3-(trifluoromethyl)phenyl]heptan-4-ol
SMILESCCCC(O)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-2-5-13(18)9-4-7-11-6-3-8-12(10-11)14(15,16)17/h3,6,8,10,13,18H,2,4-5,7,9H2,1H3
InChIKeyDQRSKHCTNAIXIO-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.19
Rot. Bonds6

About 1-[3-(trifluoromethyl)phenyl]heptan-4-ol

1-[3-(trifluoromethyl)phenyl]heptan-4-ol (PubChem CID 64513695) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]heptan-4-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]heptan-4-ol
PubChem CID64513695
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]heptan-4-ol
SMILESCCCC(O)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3O/c1-2-5-13(18)9-4-7-11-6-3-8-12(10-11)14(15,16)17/h3,6,8,10,13,18H,2,4-5,7,9H2,1H3
InChIKeyDQRSKHCTNAIXIO-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
CID 162546346
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
(2S)-2-[4-[3-(trifluoromethyl)phenyl]butan-2-ylamino]hexanoic acid
CID 122044784
6-(3-methylphenyl)hexan-3-ol
CID 64513249
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]heptan-4-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]heptan-4-ol (CID 64513695) is 1-[3-(trifluoromethyl)phenyl]heptan-4-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]heptan-4-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]heptan-4-ol is CCCC(O)CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]heptan-4-ol?
The InChIKey is DQRSKHCTNAIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-2-5-13(18)9-4-7-11-6-3-8-12(10-11)14(15,16)17/h3,6,8,10,13,18H,2,4-5,7,9H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]heptan-4-ol?
1-[3-(trifluoromethyl)phenyl]heptan-4-ol has a molecular weight of 260.30 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]heptan-4-ol is sourced from PubChem (CID 64513695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).