1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride

C9H10ClF2N — CID 50944250

IUPAC1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C9H9F2N.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-9;/h3-5H,1-2,12H2;1H
InChIKeyMVDPVMYWNRXRSD-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.33
Rot. Bonds1

About 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride

1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 50944250) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID50944250
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C9H9F2N.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-9;/h3-5H,1-2,12H2;1H
InChIKeyMVDPVMYWNRXRSD-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride (CID 50944250) is 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is MVDPVMYWNRXRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-9;/h3-5H,1-2,12H2;1H.
What are the key properties of 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride?
1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 50944250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).