N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine

C9H17F2N — CID 103517111

IUPACN-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(NCC)C(F)F
InChIInChI=1S/C9H17F2N/c1-4-12-8(9(10)11)6-5-7(2)3/h8-9,12H,2,4-6H2,1,3H3
InChIKeyLHRGFTGHSNTWKX-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine

N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine (PubChem CID 103517111) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine
PubChem CID103517111
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC NameN-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(NCC)C(F)F
InChIInChI=1S/C9H17F2N/c1-4-12-8(9(10)11)6-5-7(2)3/h8-9,12H,2,4-6H2,1,3H3
InChIKeyLHRGFTGHSNTWKX-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.59
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

CID 55286663
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CID 23170603
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CID 58962877
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CID 59640370
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CID 90694359
CID 90694359
CID 90908188
CID 90908188
CID 90976451
CID 90976451
CID 91047197
CID 91047197
CID 91063164
CID 91063164
CID 91239580
CID 91239580
CID 121451126
CID 121451126
CID 121451131
CID 121451131

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine (CID 103517111) is N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine is C=C(C)CCC(NCC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine?
The InChIKey is LHRGFTGHSNTWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-4-12-8(9(10)11)6-5-7(2)3/h8-9,12H,2,4-6H2,1,3H3.
What are the key properties of N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine?
N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-5-methylhex-5-en-2-amine is sourced from PubChem (CID 103517111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).