N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride

C7H14ClF2N — CID 71755558

IUPACN-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.FC(F)CNCC1CCC1
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)5-10-4-6-2-1-3-6;/h6-7,10H,1-5H2;1H
InChIKeyDVBRXEOMHKKVMT-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.06
Rot. Bonds4

About N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride

N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 71755558) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID71755558
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC NameN-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.FC(F)CNCC1CCC1
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)5-10-4-6-2-1-3-6;/h6-7,10H,1-5H2;1H
InChIKeyDVBRXEOMHKKVMT-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride (CID 71755558) is N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride is Cl.FC(F)CNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is DVBRXEOMHKKVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c8-7(9)5-10-4-6-2-1-3-6;/h6-7,10H,1-5H2;1H.
What are the key properties of N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride?
N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 71755558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).