1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol

C10H11ClF3NO — CID 163265554

IUPAC1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol
SMILESCNCC(F)(F)C(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClF3NO/c1-15-5-10(13,14)9(16)6-2-3-7(11)8(12)4-6/h2-4,9,15-16H,5H2,1H3
InChIKeyYPWQOAGARBRBHQ-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.37
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol

1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol (PubChem CID 163265554) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol
PubChem CID163265554
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol
SMILESCNCC(F)(F)C(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClF3NO/c1-15-5-10(13,14)9(16)6-2-3-7(11)8(12)4-6/h2-4,9,15-16H,5H2,1H3
InChIKeyYPWQOAGARBRBHQ-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(4-chloro-3-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889797
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
1-(4-chloro-3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 118021340
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82993925
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103906173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol (CID 163265554) is 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol is CNCC(F)(F)C(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol?
The InChIKey is YPWQOAGARBRBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-15-5-10(13,14)9(16)6-2-3-7(11)8(12)4-6/h2-4,9,15-16H,5H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol?
1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol has a molecular weight of 253.65 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2,2-difluoro-3-(methylamino)propan-1-ol is sourced from PubChem (CID 163265554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).