1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol

C10H10F2O — CID 115527641

IUPAC1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C10H10F2O/c1-2-9(13)7-4-3-5-8(6-7)10(11)12/h2-6,9-10,13H,1H2
InChIKeyUQZPSSVCSKDMNP-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.84
Rot. Bonds3

About 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol

1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 115527641) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID115527641
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C10H10F2O/c1-2-9(13)7-4-3-5-8(6-7)10(11)12/h2-6,9-10,13H,1H2
InChIKeyUQZPSSVCSKDMNP-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.84
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

[3-(difluoromethyl)phenyl]methanediol
CID 162564421
1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
benzene;1-phenylprop-2-en-1-ol
CID 174884403
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115527715
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol
CID 141111166
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
2-[3-(difluoromethyl)phenyl]-2-(prop-2-enylamino)acetic acid
CID 115527096
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol (CID 115527641) is 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol is C=CC(O)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is UQZPSSVCSKDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-9(13)7-4-3-5-8(6-7)10(11)12/h2-6,9-10,13H,1H2.
What are the key properties of 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol?
1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 184.19 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 115527641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).