3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine

C8H15ClF3N — CID 115363475

IUPAC3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCC(C)(CCl)CNCCC(F)(F)F
InChIInChI=1S/C8H15ClF3N/c1-7(2,5-9)6-13-4-3-8(10,11)12/h13H,3-6H2,1-2H3
InChIKeyAKROYPDHFVDSIO-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.79
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine

3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine (PubChem CID 115363475) has the molecular formula C8H15ClF3N and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
PubChem CID115363475
Molecular FormulaC8H15ClF3N
Molecular Weight217.66 g/mol
Exact Mass217.08
IUPAC Name3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESCC(C)(CCl)CNCCC(F)(F)F
InChIInChI=1S/C8H15ClF3N/c1-7(2,5-9)6-13-4-3-8(10,11)12/h13H,3-6H2,1-2H3
InChIKeyAKROYPDHFVDSIO-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 106139906
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 115363591
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 104760312
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
4-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-1-amine
CID 106140213
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
4,4-dimethyl-5-(4,4,4-trifluorobutylamino)pentanenitrile
CID 115664335
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine (CID 115363475) is 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine is CC(C)(CCl)CNCCC(F)(F)F.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
The InChIKey is AKROYPDHFVDSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3N/c1-7(2,5-9)6-13-4-3-8(10,11)12/h13H,3-6H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine?
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine has a molecular weight of 217.66 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine is sourced from PubChem (CID 115363475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).