1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine

C10H10ClF2N — CID 84785745

IUPAC1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2cc(Cl)ccc2C(F)F)CC1
InChIInChI=1S/C10H10ClF2N/c11-6-1-2-7(9(12)13)8(5-6)10(14)3-4-10/h1-2,5,9H,3-4,14H2
InChIKeyYCTPUPBULKCFCX-UHFFFAOYSA-N
MW217.65 g/mol
LogP3.23
Rot. Bonds2

About 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine

1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 84785745) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID84785745
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2cc(Cl)ccc2C(F)F)CC1
InChIInChI=1S/C10H10ClF2N/c11-6-1-2-7(9(12)13)8(5-6)10(14)3-4-10/h1-2,5,9H,3-4,14H2
InChIKeyYCTPUPBULKCFCX-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
CID 146523834
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
CID 84791254
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
CID 130545850
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
CID 84777571
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
1-(2,5-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084168
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine (CID 84785745) is 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine is NC1(c2cc(Cl)ccc2C(F)F)CC1.
What is the InChIKey of 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is YCTPUPBULKCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-6-1-2-7(9(12)13)8(5-6)10(14)3-4-10/h1-2,5,9H,3-4,14H2.
What are the key properties of 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine?
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 217.65 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84785745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).