1,1,1-trifluoro-N-propylheptan-2-amine

C10H20F3N — CID 66205587

IUPAC1,1,1-trifluoro-N-propylheptan-2-amine
SMILESCCCCCC(NCCC)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-3-5-6-7-9(10(11,12)13)14-8-4-2/h9,14H,3-8H2,1-2H3
InChIKeyQKYAAKZHWCNSHI-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.50
Rot. Bonds7

About 1,1,1-trifluoro-N-propylheptan-2-amine

1,1,1-trifluoro-N-propylheptan-2-amine (PubChem CID 66205587) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propylheptan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propylheptan-2-amine
PubChem CID66205587
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1,1,1-trifluoro-N-propylheptan-2-amine
SMILESCCCCCC(NCCC)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-3-5-6-7-9(10(11,12)13)14-8-4-2/h9,14H,3-8H2,1-2H3
InChIKeyQKYAAKZHWCNSHI-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
(2S)-1,1,1-trifluoro-3-iodo-N-propylpropan-2-amine
CID 159756276
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103311806
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115692645
1,1,1-trifluoro-N-propylhex-4-yn-2-amine
CID 115819818

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propylheptan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-propylheptan-2-amine (CID 66205587) is 1,1,1-trifluoro-N-propylheptan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propylheptan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propylheptan-2-amine is CCCCCC(NCCC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propylheptan-2-amine?
The InChIKey is QKYAAKZHWCNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-3-5-6-7-9(10(11,12)13)14-8-4-2/h9,14H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propylheptan-2-amine?
1,1,1-trifluoro-N-propylheptan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propylheptan-2-amine is sourced from PubChem (CID 66205587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).