1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol

C10H9ClF4O — CID 81046025

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
SMILESCc1cc(C(O)CC(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C10H9ClF4O/c1-5-2-6(7(11)3-8(5)12)9(16)4-10(13,14)15/h2-3,9,16H,4H2,1H3
InChIKeyDHPRVDKYVSPDAW-UHFFFAOYSA-N
MW256.63 g/mol
LogP3.77
Rot. Bonds2

About 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol

1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol (PubChem CID 81046025) has the molecular formula C10H9ClF4O and a molecular weight of 256.63 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
PubChem CID81046025
Molecular FormulaC10H9ClF4O
Molecular Weight256.63 g/mol
Exact Mass256.03
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
SMILESCc1cc(C(O)CC(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C10H9ClF4O/c1-5-2-6(7(11)3-8(5)12)9(16)4-10(13,14)15/h2-3,9,16H,4H2,1H3
InChIKeyDHPRVDKYVSPDAW-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-ol
CID 107477160
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81045523
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene
CID 130758085
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81050009
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3,3-trifluoropropan-1-ol
CID 61082788
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol (CID 81046025) is 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol is Cc1cc(C(O)CC(F)(F)F)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is DHPRVDKYVSPDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4O/c1-5-2-6(7(11)3-8(5)12)9(16)4-10(13,14)15/h2-3,9,16H,4H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol?
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 256.63 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 81046025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).