N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C7H13ClF3N — CID 104555151

IUPACN-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCC(CCl)N(C)CCC(F)(F)F
InChIInChI=1S/C7H13ClF3N/c1-6(5-8)12(2)4-3-7(9,10)11/h6H,3-5H2,1-2H3
InChIKeySDNGYKJGXJARRZ-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.50
Rot. Bonds4

About N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 104555151) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID104555151
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC NameN-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCC(CCl)N(C)CCC(F)(F)F
InChIInChI=1S/C7H13ClF3N/c1-6(5-8)12(2)4-3-7(9,10)11/h6H,3-5H2,1-2H3
InChIKeySDNGYKJGXJARRZ-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
CID 106731281
N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
CID 141407063
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
CID 81019612
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
CID 123310682
2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
CID 114447669
N-(1-chloropropan-2-yl)-N,3-dimethylbut-2-en-1-amine
CID 107901189
N-(2-bromoethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 80667760
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 104555151) is N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CC(CCl)N(C)CCC(F)(F)F.
What is the InChIKey of N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is SDNGYKJGXJARRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3N/c1-6(5-8)12(2)4-3-7(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 203.63 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 104555151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).