(4,4-difluorocyclohexyl)methanamine;hydron;chloride

C7H14ClF2N — CID 90407300

IUPAC(4,4-difluorocyclohexyl)methanamine;hydron;chloride
SMILESNCC1CCC(F)(F)CC1.[Cl-].[H+]
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)3-1-6(5-10)2-4-7;/h6H,1-5,10H2;1H
InChIKeyHNJQCPHETXMWSG-UHFFFAOYSA-N
MW185.64 g/mol
LogP-1.11
Rot. Bonds1

About (4,4-difluorocyclohexyl)methanamine;hydron;chloride

(4,4-difluorocyclohexyl)methanamine;hydron;chloride (PubChem CID 90407300) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methanamine;hydron;chloride.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methanamine;hydron;chloride
PubChem CID90407300
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name(4,4-difluorocyclohexyl)methanamine;hydron;chloride
SMILESNCC1CCC(F)(F)CC1.[Cl-].[H+]
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)3-1-6(5-10)2-4-7;/h6H,1-5,10H2;1H
InChIKeyHNJQCPHETXMWSG-UHFFFAOYSA-N
XLogP-1.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methanamine;hydron;chloride?
The IUPAC name of (4,4-difluorocyclohexyl)methanamine;hydron;chloride (CID 90407300) is (4,4-difluorocyclohexyl)methanamine;hydron;chloride.
What is the SMILES notation for (4,4-difluorocyclohexyl)methanamine;hydron;chloride?
The canonical SMILES for (4,4-difluorocyclohexyl)methanamine;hydron;chloride is NCC1CCC(F)(F)CC1.[Cl-].[H+].
What is the InChIKey of (4,4-difluorocyclohexyl)methanamine;hydron;chloride?
The InChIKey is HNJQCPHETXMWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c8-7(9)3-1-6(5-10)2-4-7;/h6H,1-5,10H2;1H.
What are the key properties of (4,4-difluorocyclohexyl)methanamine;hydron;chloride?
(4,4-difluorocyclohexyl)methanamine;hydron;chloride has a molecular weight of 185.64 g/mol, XLogP of -1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)methanamine;hydron;chloride is sourced from PubChem (CID 90407300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).