1,1,1-trifluoro-5-phenylpentan-3-ol

C11H13F3O — CID 61392717

IUPAC1,1,1-trifluoro-5-phenylpentan-3-ol
SMILESOC(CCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H13F3O/c12-11(13,14)8-10(15)7-6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyFQXUPQRKTDKMMD-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.93
Rot. Bonds4

About 1,1,1-trifluoro-5-phenylpentan-3-ol

1,1,1-trifluoro-5-phenylpentan-3-ol (PubChem CID 61392717) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-phenylpentan-3-ol
PubChem CID61392717
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1,1,1-trifluoro-5-phenylpentan-3-ol
SMILESOC(CCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H13F3O/c12-11(13,14)8-10(15)7-6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKeyFQXUPQRKTDKMMD-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
CID 101388257
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
CID 162347931
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-phenylhept-6-yn-3-ol
CID 63657298
1-phenylheptan-3-ol
CID 10420110
(3R)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308052
2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308053
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-phenylpentan-3-ol?
The IUPAC name of 1,1,1-trifluoro-5-phenylpentan-3-ol (CID 61392717) is 1,1,1-trifluoro-5-phenylpentan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-phenylpentan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-5-phenylpentan-3-ol is OC(CCc1ccccc1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-phenylpentan-3-ol?
The InChIKey is FQXUPQRKTDKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c12-11(13,14)8-10(15)7-6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2.
What are the key properties of 1,1,1-trifluoro-5-phenylpentan-3-ol?
1,1,1-trifluoro-5-phenylpentan-3-ol has a molecular weight of 218.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-phenylpentan-3-ol is sourced from PubChem (CID 61392717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).