3,3-difluoro-N,7-dimethylnonan-4-amine

C11H23F2N — CID 154667672

IUPAC3,3-difluoro-N,7-dimethylnonan-4-amine
SMILESCCC(C)CCC(NC)C(F)(F)CC
InChIInChI=1S/C11H23F2N/c1-5-9(3)7-8-10(14-4)11(12,13)6-2/h9-10,14H,5-8H2,1-4H3
InChIKeyCLPXYWIFYRZLGN-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.45
Rot. Bonds7

About 3,3-difluoro-N,7-dimethylnonan-4-amine

3,3-difluoro-N,7-dimethylnonan-4-amine (PubChem CID 154667672) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 3,3-difluoro-N,7-dimethylnonan-4-amine.

Molecular Properties

Compound Name3,3-difluoro-N,7-dimethylnonan-4-amine
PubChem CID154667672
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name3,3-difluoro-N,7-dimethylnonan-4-amine
SMILESCCC(C)CCC(NC)C(F)(F)CC
InChIInChI=1S/C11H23F2N/c1-5-9(3)7-8-10(14-4)11(12,13)6-2/h9-10,14H,5-8H2,1-4H3
InChIKeyCLPXYWIFYRZLGN-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10415
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CID 11506560
rac-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
7-Butyl-1,1,1,2,2-pentafluoro-octylamine
CID 177923951
2-methyl-N-propan-2-yloctan-1-amine
CID 62530470
N-(1,1,2,2,3,3-hexafluorononyl)-7-methyldecan-5-amine
CID 17948309
N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 20433147
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 21034320
N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
CID 21355547

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,7-dimethylnonan-4-amine?
The IUPAC name of 3,3-difluoro-N,7-dimethylnonan-4-amine (CID 154667672) is 3,3-difluoro-N,7-dimethylnonan-4-amine.
What is the SMILES notation for 3,3-difluoro-N,7-dimethylnonan-4-amine?
The canonical SMILES for 3,3-difluoro-N,7-dimethylnonan-4-amine is CCC(C)CCC(NC)C(F)(F)CC.
What is the InChIKey of 3,3-difluoro-N,7-dimethylnonan-4-amine?
The InChIKey is CLPXYWIFYRZLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-5-9(3)7-8-10(14-4)11(12,13)6-2/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 3,3-difluoro-N,7-dimethylnonan-4-amine?
3,3-difluoro-N,7-dimethylnonan-4-amine has a molecular weight of 207.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,7-dimethylnonan-4-amine is sourced from PubChem (CID 154667672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).