3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol

C10H11ClF3NO — CID 104938141

IUPAC3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1cc(F)cc(Cl)c1)C(F)F
InChIInChI=1S/C10H11ClF3NO/c11-7-1-6(2-8(12)3-7)4-15-5-9(16)10(13)14/h1-3,9-10,15-16H,4-5H2
InChIKeyCYBVOCKHGQHTJX-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.19
Rot. Bonds5

About 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol

3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 104938141) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID104938141
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESOC(CNCc1cc(F)cc(Cl)c1)C(F)F
InChIInChI=1S/C10H11ClF3NO/c11-7-1-6(2-8(12)3-7)4-15-5-9(16)10(13)14/h1-3,9-10,15-16H,4-5H2
InChIKeyCYBVOCKHGQHTJX-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731563
1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 109481996
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 114452251
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 114452969
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625
1-(3,5-dichloro-4-pyridinyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 118343085

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol (CID 104938141) is 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol is OC(CNCc1cc(F)cc(Cl)c1)C(F)F.
What is the InChIKey of 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is CYBVOCKHGQHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-7-1-6(2-8(12)3-7)4-15-5-9(16)10(13)14/h1-3,9-10,15-16H,4-5H2.
What are the key properties of 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol?
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 253.65 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 104938141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).