1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride

C10H10Cl2F3N — CID 170897906

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H9ClF3N.ClH/c11-8-2-1-6(9(15)3-4-9)5-7(8)10(12,13)14;/h1-2,5H,3-4,15H2;1H
InChIKeyHGQFMMWJCRSNSF-UHFFFAOYSA-N
MW272.10 g/mol
LogP3.73
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride

1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 170897906) has the molecular formula C10H10Cl2F3N and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID170897906
Molecular FormulaC10H10Cl2F3N
Molecular Weight272.10 g/mol
Exact Mass271.01
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H9ClF3N.ClH/c11-8-2-1-6(9(15)3-4-9)5-7(8)10(12,13)14;/h1-2,5H,3-4,15H2;1H
InChIKeyHGQFMMWJCRSNSF-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 19261885
1-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 154372103
4-(3,4-dichlorophenyl)piperidin-4-amine
CID 118021104
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
4-(1-aminocyclohexyl)-2-chloro-6-(trifluoromethyl)phenol
CID 117473837
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpiperidin-4-ol
CID 11716504
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
(1S,5R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 68947336
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
4-(1-aminocyclopropyl)-2-bromo-6-(trifluoromethyl)phenol
CID 84815573

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride (CID 170897906) is 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is HGQFMMWJCRSNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N.ClH/c11-8-2-1-6(9(15)3-4-9)5-7(8)10(12,13)14;/h1-2,5H,3-4,15H2;1H.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 272.10 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 170897906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).