N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine

C6H10F5N — CID 102869530

IUPACN-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)C(F)F
InChIInChI=1S/C6H10F5N/c1-4(5(7)8)12-3-2-6(9,10)11/h4-5,12H,2-3H2,1H3
InChIKeyMJJNZHIUKXRNOX-UHFFFAOYSA-N
MW191.14 g/mol
LogP2.18
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine

N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 102869530) has the molecular formula C6H10F5N and a molecular weight of 191.14 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID102869530
Molecular FormulaC6H10F5N
Molecular Weight191.14 g/mol
Exact Mass191.07
IUPAC NameN-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)C(F)F
InChIInChI=1S/C6H10F5N/c1-4(5(7)8)12-3-2-6(9,10)11/h4-5,12H,2-3H2,1H3
InChIKeyMJJNZHIUKXRNOX-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
methyl 2-(3,3,3-trifluoropropylamino)propanoate
CID 63226175
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
1,1-difluoro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 102870034
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)pent-3-yn-1-amine
CID 102870139
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine (CID 102869530) is N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MJJNZHIUKXRNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5N/c1-4(5(7)8)12-3-2-6(9,10)11/h4-5,12H,2-3H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine?
N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 191.14 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 102869530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).