[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol

C8H5ClF4O — CID 171009321

IUPAC[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C8H5ClF4O/c9-6-2-7(10)4(3-14)1-5(6)8(11,12)13/h1-2,14H,3H2
InChIKeyIEMUHTKUXLQMEH-UHFFFAOYSA-N
MW228.57 g/mol
LogP2.99
Rot. Bonds1

About [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol

[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 171009321) has the molecular formula C8H5ClF4O and a molecular weight of 228.57 g/mol. Its IUPAC name is [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID171009321
Molecular FormulaC8H5ClF4O
Molecular Weight228.57 g/mol
Exact Mass228.00
IUPAC Name[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C8H5ClF4O/c9-6-2-7(10)4(3-14)1-5(6)8(11,12)13/h1-2,14H,3H2
InChIKeyIEMUHTKUXLQMEH-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.57
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 142503568
[4-amino-2-chloro-5-(trifluoromethyl)phenyl]methanol
CID 118806771
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
1-chloro-5-fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171009079
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 171009321) is [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)c(Cl)cc1F.
What is the InChIKey of [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is IEMUHTKUXLQMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O/c9-6-2-7(10)4(3-14)1-5(6)8(11,12)13/h1-2,14H,3H2.
What are the key properties of [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol?
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 228.57 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 171009321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).