1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine

C11H12ClF2N — CID 105490341

IUPAC1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
SMILESNC1(C(F)(F)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)7-11(13,14)10(15)5-6-10/h1-4H,5-7,15H2
InChIKeyRKAUSBXLFJWWNZ-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.01
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine

1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine (PubChem CID 105490341) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
PubChem CID105490341
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
SMILESNC1(C(F)(F)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)7-11(13,14)10(15)5-6-10/h1-4H,5-7,15H2
InChIKeyRKAUSBXLFJWWNZ-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239719
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
CID 70514482
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
CID 169436210
1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
CID 12634147
N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
CID 71648881
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine (CID 105490341) is 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine is NC1(C(F)(F)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine?
The InChIKey is RKAUSBXLFJWWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)7-11(13,14)10(15)5-6-10/h1-4H,5-7,15H2.
What are the key properties of 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine?
1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine has a molecular weight of 231.67 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine is sourced from PubChem (CID 105490341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).