(3,3-difluorocyclohexyl)methanamine

C7H13F2N — CID 83670258

IUPAC(3,3-difluorocyclohexyl)methanamine
SMILESNCC1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c8-7(9)3-1-2-6(4-7)5-10/h6H,1-5,10H2
InChIKeyKUHHSYYOTFOMJB-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.77
Rot. Bonds1

About (3,3-difluorocyclohexyl)methanamine

(3,3-difluorocyclohexyl)methanamine (PubChem CID 83670258) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)methanamine.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)methanamine
PubChem CID83670258
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(3,3-difluorocyclohexyl)methanamine
SMILESNCC1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c8-7(9)3-1-2-6(4-7)5-10/h6H,1-5,10H2
InChIKeyKUHHSYYOTFOMJB-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 (3,3-difluorocyclohexyl)methanamine?
The IUPAC name of (3,3-difluorocyclohexyl)methanamine (CID 83670258) is (3,3-difluorocyclohexyl)methanamine.
What is the SMILES notation for (3,3-difluorocyclohexyl)methanamine?
The canonical SMILES for (3,3-difluorocyclohexyl)methanamine is NCC1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclohexyl)methanamine?
The InChIKey is KUHHSYYOTFOMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c8-7(9)3-1-2-6(4-7)5-10/h6H,1-5,10H2.
What are the key properties of (3,3-difluorocyclohexyl)methanamine?
(3,3-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 (3,3-difluorocyclohexyl)methanamine is sourced from PubChem (CID 83670258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).