4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

C12H26F2N2 — CID 102867785

IUPAC4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)C(F)F
InChIInChI=1S/C12H26F2N2/c1-5-16(6-2)9-7-8-10(3)15-11(4)12(13)14/h10-12,15H,5-9H2,1-4H3
InChIKeyXUVUCNDMGCIXAD-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.74
Rot. Bonds9

About 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 102867785) has the molecular formula C12H26F2N2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID102867785
Molecular FormulaC12H26F2N2
Molecular Weight236.35 g/mol
Exact Mass236.21
IUPAC Name4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)C(F)F
InChIInChI=1S/C12H26F2N2/c1-5-16(6-2)9-7-8-10(3)15-11(4)12(13)14/h10-12,15H,5-9H2,1-4H3
InChIKeyXUVUCNDMGCIXAD-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-difluoropropan-2-yl)heptan-2-amine
CID 102868275
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
2-[5-(diethylamino)pentan-2-ylamino]-3-methylbutanoic acid
CID 103233778
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-N-(dicyclopropylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43362773
1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
CID 64629299
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
CID 63899623
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 102867785) is 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC(C)C(F)F.
What is the InChIKey of 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is XUVUCNDMGCIXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2/c1-5-16(6-2)9-7-8-10(3)15-11(4)12(13)14/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 236.35 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 102867785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).