[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol

C10H9F3O — CID 166445243

IUPAC[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol
SMILESC=C(c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-7(10(11,12)13)9-4-2-8(6-14)3-5-9/h2-5,14H,1,6H2
InChIKeyHDZWPTCZHOUXQY-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.75
Rot. Bonds2

About [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol

[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol (PubChem CID 166445243) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol
PubChem CID166445243
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol
SMILESC=C(c1ccc(CO)cc1)C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-7(10(11,12)13)9-4-2-8(6-14)3-5-9/h2-5,14H,1,6H2
InChIKeyHDZWPTCZHOUXQY-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606
[4-(1-aminoethenyl)phenyl]methanol
CID 89070101
1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 150115521
1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 176899798
[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
CID 130564880
[4-(fluoromethyl)phenyl]methanol
CID 68531830
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
4-[(2E)-3,7-dimethylocta-2,6-dienyl]benzoic acid;3,3,3-trifluoroprop-1-en-2-ylbenzene
CID 175233202
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
CID 66510878
4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
CID 159984527

Frequently Asked Questions

What is the IUPAC name of [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol?
The IUPAC name of [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol (CID 166445243) is [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol?
The canonical SMILES for [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol is C=C(c1ccc(CO)cc1)C(F)(F)F.
What is the InChIKey of [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol?
The InChIKey is HDZWPTCZHOUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-7(10(11,12)13)9-4-2-8(6-14)3-5-9/h2-5,14H,1,6H2.
What are the key properties of [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol?
[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol has a molecular weight of 202.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol is sourced from PubChem (CID 166445243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).