N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride

C9H14ClF4N — CID 166258945

IUPACN-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
SMILESCN(CC1CC1(F)F)C1CC(F)(F)C1.Cl
InChIInChI=1S/C9H13F4N.ClH/c1-14(5-6-2-9(6,12)13)7-3-8(10,11)4-7;/h6-7H,2-5H2,1H3;1H
InChIKeySTKNJBFAVNOPLZ-UHFFFAOYSA-N
MW247.66 g/mol
LogP2.79
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride

N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride (PubChem CID 166258945) has the molecular formula C9H14ClF4N and a molecular weight of 247.66 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
PubChem CID166258945
Molecular FormulaC9H14ClF4N
Molecular Weight247.66 g/mol
Exact Mass247.08
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
SMILESCN(CC1CC1(F)F)C1CC(F)(F)C1.Cl
InChIInChI=1S/C9H13F4N.ClH/c1-14(5-6-2-9(6,12)13)7-3-8(10,11)4-7;/h6-7H,2-5H2,1H3;1H
InChIKeySTKNJBFAVNOPLZ-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride (CID 166258945) is N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride is CN(CC1CC1(F)F)C1CC(F)(F)C1.Cl.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
The InChIKey is STKNJBFAVNOPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N.ClH/c1-14(5-6-2-9(6,12)13)7-3-8(10,11)4-7;/h6-7H,2-5H2,1H3;1H.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride?
N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride has a molecular weight of 247.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 166258945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).