1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine

C11H23F2N — CID 103516584

IUPAC1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)C(F)F
InChIInChI=1S/C11H23F2N/c1-5-8-14-9(10(12)13)6-7-11(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyRJWSUHKZQXSDAU-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.45
Rot. Bonds6

About 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine

1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine (PubChem CID 103516584) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
PubChem CID103516584
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)C(F)F
InChIInChI=1S/C11H23F2N/c1-5-8-14-9(10(12)13)6-7-11(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyRJWSUHKZQXSDAU-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
1,1-difluoro-N,5,5-trimethylhexan-2-amine
CID 103516587
1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676429
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
1-N,1-N,5,5-tetramethyl-2-N-propylhexane-1,2-diamine
CID 79088484
N-ethyl-1,1-difluoropentan-2-amine
CID 80604281
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
2-cyclopropyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992954
6,6,6-trifluoro-2-methylsulfonyl-N-propylhexan-3-amine
CID 104992670
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine?
The IUPAC name of 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine (CID 103516584) is 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine?
The canonical SMILES for 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine?
The InChIKey is RJWSUHKZQXSDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-5-8-14-9(10(12)13)6-7-11(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine?
1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine has a molecular weight of 207.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 103516584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).