1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride

C10H10ClF4N — CID 75525898

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H9F4N.ClH/c11-8-4-6(9(15)1-2-9)3-7(5-8)10(12,13)14;/h3-5H,1-2,15H2;1H
InChIKeyAFSRAZSTVVUGLN-UHFFFAOYSA-N
MW255.64 g/mol
LogP3.21
Rot. Bonds1

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride

1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 75525898) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID75525898
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C10H9F4N.ClH/c11-8-4-6(9(15)1-2-9)3-7(5-8)10(12,13)14;/h3-5H,1-2,15H2;1H
InChIKeyAFSRAZSTVVUGLN-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride (CID 75525898) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is AFSRAZSTVVUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N.ClH/c11-8-4-6(9(15)1-2-9)3-7(5-8)10(12,13)14;/h3-5H,1-2,15H2;1H.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride?
1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 255.64 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 75525898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).