1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine

C8H18F2N2 — CID 115407411

IUPAC1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCC(F)F
InChIInChI=1S/C8H18F2N2/c1-6(2)3-7(11)4-12-5-8(9)10/h6-8,12H,3-5,11H2,1-2H3
InChIKeyNPMUZYAEKORBHD-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.21
Rot. Bonds6

About 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine

1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine (PubChem CID 115407411) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
PubChem CID115407411
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCC(F)F
InChIInChI=1S/C8H18F2N2/c1-6(2)3-7(11)4-12-5-8(9)10/h6-8,12H,3-5,11H2,1-2H3
InChIKeyNPMUZYAEKORBHD-UHFFFAOYSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
CID 115407517
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
CID 83962626
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716877
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine (CID 115407411) is 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine is CC(C)CC(N)CNCC(F)F.
What is the InChIKey of 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
The InChIKey is NPMUZYAEKORBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2/c1-6(2)3-7(11)4-12-5-8(9)10/h6-8,12H,3-5,11H2,1-2H3.
What are the key properties of 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine?
1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine has a molecular weight of 180.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 115407411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).