[1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride

C5H10ClF2N — CID 84716658

IUPAC[1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(C(F)F)CC1
InChIInChI=1S/C5H9F2N.ClH/c6-4(7)5(3-8)1-2-5;/h4H,1-3,8H2;1H
InChIKeyJPIYMTYVIMQJQU-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.41
Rot. Bonds2

About [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride

[1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 84716658) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride
PubChem CID84716658
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name[1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(C(F)F)CC1
InChIInChI=1S/C5H9F2N.ClH/c6-4(7)5(3-8)1-2-5;/h4H,1-3,8H2;1H
InChIKeyJPIYMTYVIMQJQU-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-Difluorocyclopropyl)methanamine hydrochloride
CID 75480932
(1-Fluorocyclopropyl)methanamine hydrochloride
CID 84716063
(1-(Trifluoromethyl)cyclopropyl)methanamine hydrochloride
CID 84717721
2-Cyclopropyl-2,2-difluoroethan-1-amine hydrochloride
CID 119030504
2-(Difluoromethyl)-2-methylcyclopropan-1-amine hydrochloride
CID 146049570
2,2-Difluoro-3,3-dimethylbutan-1-amine hydrochloride
CID 105435706
(2,2-Difluoro-1-methylcyclopropyl)methanamine hydrochloride
CID 122164211
4,4-Difluoro-2,2-dimethylbutan-1-amine hydrochloride
CID 126809524
[1-(2,2,2-Trifluoroethyl)cyclopropyl]methanamine hydrochloride
CID 126843984
(1-(2,2-Difluoroethyl)cyclopropyl)methanamine hydrochloride
CID 126843987
rac-(1R,2R)-2-methyl-2-(trifluoromethyl)cyclopropan-1-amine hydrochloride
CID 165940951
2,2-Difluoro-3,3-dimethylcyclopropan-1-amine hydrochloride
CID 165995221

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride (CID 84716658) is [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1(C(F)F)CC1.
What is the InChIKey of [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is JPIYMTYVIMQJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-4(7)5(3-8)1-2-5;/h4H,1-3,8H2;1H.
What are the key properties of [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride?
[1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 84716658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).