1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine

C10H10ClF2N — CID 105471866

IUPAC1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
SMILESNC1(c2cccc(Cl)c2)CC(F)(F)C1
InChIInChI=1S/C10H10ClF2N/c11-8-3-1-2-7(4-8)9(14)5-10(12,13)6-9/h1-4H,5-6,14H2
InChIKeyBNCRICRCJIKXDX-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.92
Rot. Bonds1

About 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine

1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine (PubChem CID 105471866) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
PubChem CID105471866
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
SMILESNC1(c2cccc(Cl)c2)CC(F)(F)C1
InChIInChI=1S/C10H10ClF2N/c11-8-3-1-2-7(4-8)9(14)5-10(12,13)6-9/h1-4H,5-6,14H2
InChIKeyBNCRICRCJIKXDX-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
CID 105488735
1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
CID 105490327
4-amino-4-(3-chlorophenyl)cyclohexan-1-one
CID 115034262
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
CID 159605665
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737368

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine (CID 105471866) is 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine is NC1(c2cccc(Cl)c2)CC(F)(F)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine?
The InChIKey is BNCRICRCJIKXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-8-3-1-2-7(4-8)9(14)5-10(12,13)6-9/h1-4H,5-6,14H2.
What are the key properties of 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine?
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine has a molecular weight of 217.65 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine is sourced from PubChem (CID 105471866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).