(4,4-difluorocyclohexyl)methanamine;ethane

C9H19F2N — CID 91075348

IUPAC(4,4-difluorocyclohexyl)methanamine;ethane
SMILESCC.NCC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N.C2H6/c8-7(9)3-1-6(5-10)2-4-7;1-2/h6H,1-5,10H2;1-2H3
InChIKeyRVDUGZWCIUZFSG-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.80
Rot. Bonds1

About (4,4-difluorocyclohexyl)methanamine;ethane

(4,4-difluorocyclohexyl)methanamine;ethane (PubChem CID 91075348) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methanamine;ethane.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methanamine;ethane
PubChem CID91075348
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name(4,4-difluorocyclohexyl)methanamine;ethane
SMILESCC.NCC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N.C2H6/c8-7(9)3-1-6(5-10)2-4-7;1-2/h6H,1-5,10H2;1-2H3
InChIKeyRVDUGZWCIUZFSG-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylcyclohexanemethanamine
CID 19703199
(4,4-Difluorocyclohexyl)methanamine
CID 15604494
1-Cyclohexyl-2,2,2-trifluoroethanamine
CID 17888020
1-(4,4-Difluorocyclohexyl)ethan-1-amine
CID 21016048
[4-(Trifluoromethyl)cyclohexyl]methanamine
CID 22337633
1-(4,4-Difluorocyclohexyl)methanamine hydrochloride
CID 45158931
[3-(Trifluoromethyl)cyclohexyl]methanamine
CID 54423793
1-Cyclohexyl-2,2,2-trifluoroethan-1-amine hydrochloride
CID 66570545
(3,3-Difluorocyclohexyl)methanamine
CID 83670258
2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
2-(4,4-Difluorocyclohexyl)ethan-1-amine hydrochloride
CID 105452554
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methanamine;ethane?
The IUPAC name of (4,4-difluorocyclohexyl)methanamine;ethane (CID 91075348) is (4,4-difluorocyclohexyl)methanamine;ethane.
What is the SMILES notation for (4,4-difluorocyclohexyl)methanamine;ethane?
The canonical SMILES for (4,4-difluorocyclohexyl)methanamine;ethane is CC.NCC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)methanamine;ethane?
The InChIKey is RVDUGZWCIUZFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C2H6/c8-7(9)3-1-6(5-10)2-4-7;1-2/h6H,1-5,10H2;1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)methanamine;ethane?
(4,4-difluorocyclohexyl)methanamine;ethane has a molecular weight of 179.25 g/mol, XLogP of 2.80, 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;ethane is sourced from PubChem (CID 91075348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).