3-(4-chlorophenyl)-1,1-difluoropropan-2-amine

C9H10ClF2N — CID 84673763

IUPAC3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H10ClF2N/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8-9H,5,13H2
InChIKeyOVWLWYDHBLDCFU-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.47
Rot. Bonds3

About 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine

3-(4-chlorophenyl)-1,1-difluoropropan-2-amine (PubChem CID 84673763) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
PubChem CID84673763
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
SMILESNC(Cc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C9H10ClF2N/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8-9H,5,13H2
InChIKeyOVWLWYDHBLDCFU-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
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3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
CID 66719941
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CID 60820343
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627770
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
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3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine (CID 84673763) is 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine is NC(Cc1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine?
The InChIKey is OVWLWYDHBLDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8-9H,5,13H2.
What are the key properties of 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine?
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine has a molecular weight of 205.64 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 84673763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).