N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride

C7H12ClF2N — CID 162342308

IUPACN-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride
SMILESCl.FC1(F)CC(NC2CC2)C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)10-5-1-2-5;/h5-6,10H,1-4H2;1H
InChIKeyROQLKMOKTLPNSQ-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.96
Rot. Bonds2

About N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride

N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride (PubChem CID 162342308) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride
PubChem CID162342308
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC NameN-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride
SMILESCl.FC1(F)CC(NC2CC2)C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)10-5-1-2-5;/h5-6,10H,1-4H2;1H
InChIKeyROQLKMOKTLPNSQ-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 170652295
N-(3,3-difluorocyclobutyl)-2-methylcyclopentan-1-amine
CID 130660555
N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane
CID 154694577
4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 130609640
N-cyclopropylcyclododecanamine
CID 16776852
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
N-(3-ethylcyclobutyl)-3,3-difluorocyclopentan-1-amine
CID 126989380
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
CID 86277360
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
N-cyclohexylcyclohexanamine;ethane
CID 67925930
3-cyclopropyl-1,1-difluorocyclobutane
CID 157034703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride?
The IUPAC name of N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride (CID 162342308) is N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride.
What is the SMILES notation for N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride?
The canonical SMILES for N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride is Cl.FC1(F)CC(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride?
The InChIKey is ROQLKMOKTLPNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)10-5-1-2-5;/h5-6,10H,1-4H2;1H.
What are the key properties of N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride?
N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-difluorocyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 162342308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).