4-(difluoromethoxy)-2,2-dipropylhexan-1-amine

C13H27F2NO — CID 168880948

IUPAC4-(difluoromethoxy)-2,2-dipropylhexan-1-amine
SMILESCCCC(CN)(CCC)CC(CC)OC(F)F
InChIInChI=1S/C13H27F2NO/c1-4-7-13(10-16,8-5-2)9-11(6-3)17-12(14)15/h11-12H,4-10,16H2,1-3H3
InChIKeyQYVFCJZUQACPJF-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.94
Rot. Bonds10

About 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine

4-(difluoromethoxy)-2,2-dipropylhexan-1-amine (PubChem CID 168880948) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,2-dipropylhexan-1-amine
PubChem CID168880948
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC Name4-(difluoromethoxy)-2,2-dipropylhexan-1-amine
SMILESCCCC(CN)(CCC)CC(CC)OC(F)F
InChIInChI=1S/C13H27F2NO/c1-4-7-13(10-16,8-5-2)9-11(6-3)17-12(14)15/h11-12H,4-10,16H2,1-3H3
InChIKeyQYVFCJZUQACPJF-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174262593
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62723303
2-Methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723497
2,2-Diethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723900
2-Ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724916
2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62726314
3,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81013232
[4,4-Difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine hydrochloride
CID 91658644
[4,4-Difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine
CID 91658645
2-Ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
CID 106705975
2,2-Dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
CID 106708697

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine?
The IUPAC name of 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine (CID 168880948) is 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine.
What is the SMILES notation for 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine?
The canonical SMILES for 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine is CCCC(CN)(CCC)CC(CC)OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine?
The InChIKey is QYVFCJZUQACPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO/c1-4-7-13(10-16,8-5-2)9-11(6-3)17-12(14)15/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine?
4-(difluoromethoxy)-2,2-dipropylhexan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,2-dipropylhexan-1-amine is sourced from PubChem (CID 168880948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).