1,1-difluoro-N,6-dimethylheptan-2-amine

C9H19F2N — CID 103517025

IUPAC1,1-difluoro-N,6-dimethylheptan-2-amine
SMILESCNC(CCCC(C)C)C(F)F
InChIInChI=1S/C9H19F2N/c1-7(2)5-4-6-8(12-3)9(10)11/h7-9,12H,4-6H2,1-3H3
InChIKeyDVJGKTRXOSPZBD-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.67
Rot. Bonds6

About 1,1-difluoro-N,6-dimethylheptan-2-amine

1,1-difluoro-N,6-dimethylheptan-2-amine (PubChem CID 103517025) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 1,1-difluoro-N,6-dimethylheptan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N,6-dimethylheptan-2-amine
PubChem CID103517025
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name1,1-difluoro-N,6-dimethylheptan-2-amine
SMILESCNC(CCCC(C)C)C(F)F
InChIInChI=1S/C9H19F2N/c1-7(2)5-4-6-8(12-3)9(10)11/h7-9,12H,4-6H2,1-3H3
InChIKeyDVJGKTRXOSPZBD-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
N,4,8-trimethylnonan-3-amine
CID 83158813
1,1-difluoro-N,5,5-trimethylhexan-2-amine
CID 103516587
7-ethyl-N,2-dimethylundecan-6-amine
CID 105028702
1-fluoro-1-iodo-5-methylhexane
CID 141076544
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
CID 103312243
6-ethyl-N,3,10-trimethylundecan-5-amine
CID 174258743
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
(3-ethoxy-8-methylnonan-4-yl)hydrazine
CID 105271233

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,6-dimethylheptan-2-amine?
The IUPAC name of 1,1-difluoro-N,6-dimethylheptan-2-amine (CID 103517025) is 1,1-difluoro-N,6-dimethylheptan-2-amine.
What is the SMILES notation for 1,1-difluoro-N,6-dimethylheptan-2-amine?
The canonical SMILES for 1,1-difluoro-N,6-dimethylheptan-2-amine is CNC(CCCC(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-N,6-dimethylheptan-2-amine?
The InChIKey is DVJGKTRXOSPZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-7(2)5-4-6-8(12-3)9(10)11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-N,6-dimethylheptan-2-amine?
1,1-difluoro-N,6-dimethylheptan-2-amine has a molecular weight of 179.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,6-dimethylheptan-2-amine is sourced from PubChem (CID 103517025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).