(4,4-difluorocyclohexyl)methanamine

C7H13F2N — CID 15604494

IUPAC(4,4-difluorocyclohexyl)methanamine
SMILESNCC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5,10H2
InChIKeyXAAFYIOYLLPWMM-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.77
Rot. Bonds1

About (4,4-difluorocyclohexyl)methanamine

(4,4-difluorocyclohexyl)methanamine (PubChem CID 15604494) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methanamine
PubChem CID15604494
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(4,4-difluorocyclohexyl)methanamine
SMILESNCC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5,10H2
InChIKeyXAAFYIOYLLPWMM-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.77
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?
The IUPAC name of (4,4-difluorocyclohexyl)methanamine (CID 15604494) is (4,4-difluorocyclohexyl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)methanamine is NCC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)methanamine?
The InChIKey is XAAFYIOYLLPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5,10H2.
What are the key properties of (4,4-difluorocyclohexyl)methanamine?
(4,4-difluorocyclohexyl)methanamine has a molecular weight of 149.18 g/mol, XLogP of 1.77, 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 is sourced from PubChem (CID 15604494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).