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

C10H11ClF3NO — CID 106175909

IUPAC3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO/c11-9-2-1-8(12)3-7(9)4-15-5-10(13,14)6-16/h1-3,15-16H,4-6H2
InChIKeyMMRYSHLIDVQANT-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.20
Rot. Bonds5

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

3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106175909) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106175909
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1cc(F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO/c11-9-2-1-8(12)3-7(9)4-15-5-10(13,14)6-16/h1-3,15-16H,4-6H2
InChIKeyMMRYSHLIDVQANT-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 104857334
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 102615967
2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
CID 102609433
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
6-[(2-chloro-5-fluorophenyl)methylamino]hexan-1-ol
CID 107851583
2-[(2-chloro-5-fluorophenyl)methylamino]acetic acid
CID 102616791
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
2-bromo-N-[(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 102620250

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol (CID 106175909) is 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCc1cc(F)ccc1Cl.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is MMRYSHLIDVQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-9-2-1-8(12)3-7(9)4-15-5-10(13,14)6-16/h1-3,15-16H,4-6H2.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol?
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 253.65 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106175909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).