2-benzyl-1,1,1-trifluoropent-4-en-2-ol

C12H13F3O — CID 14764222

IUPAC2-benzyl-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CCC(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-2-8-11(16,12(13,14)15)9-10-6-4-3-5-7-10/h2-7,16H,1,8-9H2
InChIKeyWKHHHBDDSXQYDZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.10
Rot. Bonds4

About 2-benzyl-1,1,1-trifluoropent-4-en-2-ol

2-benzyl-1,1,1-trifluoropent-4-en-2-ol (PubChem CID 14764222) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-benzyl-1,1,1-trifluoropent-4-en-2-ol.

Molecular Properties

Compound Name2-benzyl-1,1,1-trifluoropent-4-en-2-ol
PubChem CID14764222
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-benzyl-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CCC(O)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-2-8-11(16,12(13,14)15)9-10-6-4-3-5-7-10/h2-7,16H,1,8-9H2
InChIKeyWKHHHBDDSXQYDZ-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-methyl-1-phenylhex-5-en-2-ol
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3-benzyl-3-prop-2-enylpentane-2,4-dione
CID 154723587
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
(2R)-2-amino-2-benzylpent-4-enamide
CID 135080853
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
3-benzyl-3-ethenylhex-5-en-2-one
CID 101401737
1-phenylbut-3-ene-1,1-diol
CID 134892936
2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 122622472
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
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2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1,1-trifluoropent-4-en-2-ol?
The IUPAC name of 2-benzyl-1,1,1-trifluoropent-4-en-2-ol (CID 14764222) is 2-benzyl-1,1,1-trifluoropent-4-en-2-ol.
What is the SMILES notation for 2-benzyl-1,1,1-trifluoropent-4-en-2-ol?
The canonical SMILES for 2-benzyl-1,1,1-trifluoropent-4-en-2-ol is C=CCC(O)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-benzyl-1,1,1-trifluoropent-4-en-2-ol?
The InChIKey is WKHHHBDDSXQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-2-8-11(16,12(13,14)15)9-10-6-4-3-5-7-10/h2-7,16H,1,8-9H2.
What are the key properties of 2-benzyl-1,1,1-trifluoropent-4-en-2-ol?
2-benzyl-1,1,1-trifluoropent-4-en-2-ol has a molecular weight of 230.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1,1-trifluoropent-4-en-2-ol is sourced from PubChem (CID 14764222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).