(2,2-difluorocycloheptyl)methanamine;hydrochloride

C8H16ClF2N — CID 138987704

IUPAC(2,2-difluorocycloheptyl)methanamine;hydrochloride
SMILESCl.NCC1CCCCCC1(F)F
InChIInChI=1S/C8H15F2N.ClH/c9-8(10)5-3-1-2-4-7(8)6-11;/h7H,1-6,11H2;1H
InChIKeyTZNNJTQKXPCRME-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.58
Rot. Bonds1

About (2,2-difluorocycloheptyl)methanamine;hydrochloride

(2,2-difluorocycloheptyl)methanamine;hydrochloride (PubChem CID 138987704) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is (2,2-difluorocycloheptyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-difluorocycloheptyl)methanamine;hydrochloride
PubChem CID138987704
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC Name(2,2-difluorocycloheptyl)methanamine;hydrochloride
SMILESCl.NCC1CCCCCC1(F)F
InChIInChI=1S/C8H15F2N.ClH/c9-8(10)5-3-1-2-4-7(8)6-11;/h7H,1-6,11H2;1H
InChIKeyTZNNJTQKXPCRME-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocycloheptyl)methanamine;hydrochloride?
The IUPAC name of (2,2-difluorocycloheptyl)methanamine;hydrochloride (CID 138987704) is (2,2-difluorocycloheptyl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-difluorocycloheptyl)methanamine;hydrochloride?
The canonical SMILES for (2,2-difluorocycloheptyl)methanamine;hydrochloride is Cl.NCC1CCCCCC1(F)F.
What is the InChIKey of (2,2-difluorocycloheptyl)methanamine;hydrochloride?
The InChIKey is TZNNJTQKXPCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.ClH/c9-8(10)5-3-1-2-4-7(8)6-11;/h7H,1-6,11H2;1H.
What are the key properties of (2,2-difluorocycloheptyl)methanamine;hydrochloride?
(2,2-difluorocycloheptyl)methanamine;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocycloheptyl)methanamine;hydrochloride is sourced from PubChem (CID 138987704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).