N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine

C10H20F3N — CID 115516397

IUPACN-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
SMILESCCNC(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N/c1-4-14-9(8(2)3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyHPEQBMSWFCHPNU-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine

N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine (PubChem CID 115516397) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
PubChem CID115516397
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC NameN-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
SMILESCCNC(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N/c1-4-14-9(8(2)3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyHPEQBMSWFCHPNU-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10406
Iproheptine
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CID 19916
N-(6-Methylheptan-2-yl)cyclopropanamine
CID 27731
N,6-Dimethylheptan-2-amine--hydrogen chloride (1/1)
CID 44696
Iproheptine, (S)-
CID 38988589
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
2-methyl-N-propan-2-yloctan-1-amine
CID 62530470
N-ethyl-6-methyl-6-fluoroheptane amine
CID 9877517
N-(1,1,2,2,3,3-hexafluorononyl)-7-methyldecan-5-amine
CID 17948309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine?
The IUPAC name of N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine (CID 115516397) is N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine.
What is the SMILES notation for N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine?
The canonical SMILES for N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine is CCNC(CCCC(F)(F)F)C(C)C.
What is the InChIKey of N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine?
The InChIKey is HPEQBMSWFCHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-4-14-9(8(2)3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine?
N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine has a molecular weight of 211.27 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine is sourced from PubChem (CID 115516397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).