2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol

C10H10ClF3O — CID 115042879

IUPAC2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol
SMILESOCC(Cc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10ClF3O/c11-9-3-1-2-7(5-9)4-8(6-15)10(12,13)14/h1-3,5,8,15H,4,6H2
InChIKeyUTFZCTKUVDYSND-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.05
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol

2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol (PubChem CID 115042879) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol
PubChem CID115042879
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol
SMILESOCC(Cc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10ClF3O/c11-9-3-1-2-7(5-9)4-8(6-15)10(12,13)14/h1-3,5,8,15H,4,6H2
InChIKeyUTFZCTKUVDYSND-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 94905409
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CID 84685245
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2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
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(2S)-2-[(3-chlorophenyl)methyl]hexane-1,6-diol
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CID 39240389
1-chloro-3-[2-(trifluoromethylsulfanyl)butyl]benzene
CID 123417086
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,3,4,5,6-pentafluorobenzene
CID 63529741
1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 63016982
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-[(3-chlorophenyl)methyl]-4-(3-methylbutoxy)butan-1-ol
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CID 66057400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol (CID 115042879) is 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol is OCC(Cc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
The InChIKey is UTFZCTKUVDYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c11-9-3-1-2-7(5-9)4-8(6-15)10(12,13)14/h1-3,5,8,15H,4,6H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol?
2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol has a molecular weight of 238.64 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 115042879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).