1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine

C10H21F2NO — CID 106676429

IUPAC1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(CC(C)(C)OC)C(F)F
InChIInChI=1S/C10H21F2NO/c1-5-6-13-8(9(11)12)7-10(2,3)14-4/h8-9,13H,5-7H2,1-4H3
InChIKeyFKTJFMBUCPNKCR-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.43
Rot. Bonds7

About 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine

1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 106676429) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID106676429
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(CC(C)(C)OC)C(F)F
InChIInChI=1S/C10H21F2NO/c1-5-6-13-8(9(11)12)7-10(2,3)14-4/h8-9,13H,5-7H2,1-4H3
InChIKeyFKTJFMBUCPNKCR-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2,5-dimethyl-N-propylhexan-3-amine
CID 103024809
1,1-difluoro-5,5-dimethyl-N-propylhexan-2-amine
CID 103516584
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
N-ethyl-2-methoxy-2,5-dimethyloctan-4-amine
CID 107893604
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
1-ethylsulfonyl-6-methoxy-6-methyl-N-propylheptan-4-amine
CID 103027266
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 107130389
3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-N,2-N-diethyl-6-methoxy-2,6-dimethyl-3-N-propylheptane-2,3-diamine
CID 103035812

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 106676429) is 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(CC(C)(C)OC)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is FKTJFMBUCPNKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-5-6-13-8(9(11)12)7-10(2,3)14-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine?
1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 209.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 106676429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).