1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine

C12H19F6N — CID 103312115

IUPAC1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
SMILESC=C(CC)CC(NCCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6N/c1-4-6-19-9(7-8(3)5-2)10(11(13,14)15)12(16,17)18/h9-10,19H,3-7H2,1-2H3
InChIKeyOIGKKMFTHFERGM-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.45
Rot. Bonds7

About 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine

1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine (PubChem CID 103312115) has the molecular formula C12H19F6N and a molecular weight of 291.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
PubChem CID103312115
Molecular FormulaC12H19F6N
Molecular Weight291.28 g/mol
Exact Mass291.14
IUPAC Name1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
SMILESC=C(CC)CC(NCCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6N/c1-4-6-19-9(7-8(3)5-2)10(11(13,14)15)12(16,17)18/h9-10,19H,3-7H2,1-2H3
InChIKeyOIGKKMFTHFERGM-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-N,6-dipropylnonan-5-amine
CID 105005823
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103311806
1-cyclopropyl-1-methoxy-4-methylidene-N-propylhexan-2-amine
CID 116722865
4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103312155
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
3-ethyl-3-N,3-N-dimethyl-6-methylidene-4-N-propyloctane-3,4-diamine
CID 79062183
5-methylidene-1-methylsulfanyl-N-propylheptan-3-amine
CID 105163897
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
3-N,3-N-diethyl-3-methyl-6-methylidene-4-N-propyloctane-3,4-diamine
CID 79069310
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine (CID 103312115) is 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine is C=C(CC)CC(NCCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine?
The InChIKey is OIGKKMFTHFERGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6N/c1-4-6-19-9(7-8(3)5-2)10(11(13,14)15)12(16,17)18/h9-10,19H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine?
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine has a molecular weight of 291.28 g/mol, XLogP of 4.45, 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-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine is sourced from PubChem (CID 103312115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).