N-methyl-4-(trifluoromethyl)oxepan-4-amine

C8H14F3NO — CID 66204947

IUPACN-methyl-4-(trifluoromethyl)oxepan-4-amine
SMILESCNC1(C(F)(F)F)CCCOCC1
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)3-2-5-13-6-4-7/h12H,2-6H2,1H3
InChIKeyHMILKVZYTKYTSB-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)oxepan-4-amine

N-methyl-4-(trifluoromethyl)oxepan-4-amine (PubChem CID 66204947) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)oxepan-4-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)oxepan-4-amine
PubChem CID66204947
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-4-(trifluoromethyl)oxepan-4-amine
SMILESCNC1(C(F)(F)F)CCCOCC1
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)3-2-5-13-6-4-7/h12H,2-6H2,1H3
InChIKeyHMILKVZYTKYTSB-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66204757
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CID 66205554
CID 66205554
CID 66206206
CID 66206206
CID 80604324
CID 80604324
CID 80605173
CID 80605173
CID 80605984
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CID 80606016
CID 80606016
CID 103148411
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CID 103149387
CID 103149387

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)oxepan-4-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)oxepan-4-amine (CID 66204947) is N-methyl-4-(trifluoromethyl)oxepan-4-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)oxepan-4-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)oxepan-4-amine is CNC1(C(F)(F)F)CCCOCC1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)oxepan-4-amine?
The InChIKey is HMILKVZYTKYTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)3-2-5-13-6-4-7/h12H,2-6H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)oxepan-4-amine?
N-methyl-4-(trifluoromethyl)oxepan-4-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)oxepan-4-amine is sourced from PubChem (CID 66204947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).