1-(difluoromethyl)cyclopropan-1-amine;hydrochloride

C4H8ClF2N — CID 91663075

IUPAC1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(C(F)F)CC1
InChIInChI=1S/C4H7F2N.ClH/c5-3(6)4(7)1-2-4;/h3H,1-2,7H2;1H
InChIKeyRFEFCOOLRAJDMY-UHFFFAOYSA-N
MW143.56 g/mol
LogP1.16
Rot. Bonds1

About 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride

1-(difluoromethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 91663075) has the molecular formula C4H8ClF2N and a molecular weight of 143.56 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
PubChem CID91663075
Molecular FormulaC4H8ClF2N
Molecular Weight143.56 g/mol
Exact Mass143.03
IUPAC Name1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(C(F)F)CC1
InChIInChI=1S/C4H7F2N.ClH/c5-3(6)4(7)1-2-4;/h3H,1-2,7H2;1H
InChIKeyRFEFCOOLRAJDMY-UHFFFAOYSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.56
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(difluoromethyl)spiro[4.4]nonan-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride (CID 91663075) is 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is RFEFCOOLRAJDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N.ClH/c5-3(6)4(7)1-2-4;/h3H,1-2,7H2;1H.
What are the key properties of 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 143.56 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 91663075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).