4,4-difluoro-N,5,5-trimethylhexan-2-amine

C9H19F2N — CID 105438278

IUPAC4,4-difluoro-N,5,5-trimethylhexan-2-amine
SMILESCNC(C)CC(F)(F)C(C)(C)C
InChIInChI=1S/C9H19F2N/c1-7(12-5)6-9(10,11)8(2,3)4/h7,12H,6H2,1-5H3
InChIKeyNLHCGQQFTLPOFT-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.67
Rot. Bonds3

About 4,4-difluoro-N,5,5-trimethylhexan-2-amine

4,4-difluoro-N,5,5-trimethylhexan-2-amine (PubChem CID 105438278) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 4,4-difluoro-N,5,5-trimethylhexan-2-amine.

Molecular Properties

Compound Name4,4-difluoro-N,5,5-trimethylhexan-2-amine
PubChem CID105438278
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name4,4-difluoro-N,5,5-trimethylhexan-2-amine
SMILESCNC(C)CC(F)(F)C(C)(C)C
InChIInChI=1S/C9H19F2N/c1-7(12-5)6-9(10,11)8(2,3)4/h7,12H,6H2,1-5H3
InChIKeyNLHCGQQFTLPOFT-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(4-Methylpentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24707346
(2R)-5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 28371045
5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 43185242
(Hexan-2-yl)(2,2,2-trifluoroethyl)amine
CID 43755070
6,6,6-Trifluoro-2,2-dimethylhexan-3-amine
CID 64565357
N-ethyl-1,1,1-trifluorohexan-2-amine
CID 66206786
1,1,1-trifluoro-N,5-dimethylhexan-2-amine
CID 66466325
3,3-difluoro-N,5,5-trimethylcyclohexan-1-amine
CID 67330950
N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343735
1,1,1-Trifluoro-5,5-dimethylhexan-2-amine
CID 82407188
1,1,1-Trifluoro-5,5-dimethylhexan-3-amine
CID 82407192
2-Tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,5,5-trimethylhexan-2-amine?
The IUPAC name of 4,4-difluoro-N,5,5-trimethylhexan-2-amine (CID 105438278) is 4,4-difluoro-N,5,5-trimethylhexan-2-amine.
What is the SMILES notation for 4,4-difluoro-N,5,5-trimethylhexan-2-amine?
The canonical SMILES for 4,4-difluoro-N,5,5-trimethylhexan-2-amine is CNC(C)CC(F)(F)C(C)(C)C.
What is the InChIKey of 4,4-difluoro-N,5,5-trimethylhexan-2-amine?
The InChIKey is NLHCGQQFTLPOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-7(12-5)6-9(10,11)8(2,3)4/h7,12H,6H2,1-5H3.
What are the key properties of 4,4-difluoro-N,5,5-trimethylhexan-2-amine?
4,4-difluoro-N,5,5-trimethylhexan-2-amine has a molecular weight of 179.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,5,5-trimethylhexan-2-amine is sourced from PubChem (CID 105438278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).