ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide

C14H22F3NO — CID 144753386

IUPACethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide
SMILESC/C=C\C1=C(C)CCC[C@@H]1NC(=O)C(F)(F)F.CC
InChIInChI=1S/C12H16F3NO.C2H6/c1-3-5-9-8(2)6-4-7-10(9)16-11(17)12(13,14)15;1-2/h3,5,10H,4,6-7H2,1-2H3,(H,16,17);1-2H3/b5-3-;/t10-;/m0./s1
InChIKeyDBCFXZVZQQZRAM-MEDGODRVSA-N
MW277.33 g/mol
LogP4.14
Rot. Bonds2

About ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide

ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide (PubChem CID 144753386) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide
PubChem CID144753386
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Nameethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide
SMILESC/C=C\C1=C(C)CCC[C@@H]1NC(=O)C(F)(F)F.CC
InChIInChI=1S/C12H16F3NO.C2H6/c1-3-5-9-8(2)6-4-7-10(9)16-11(17)12(13,14)15;1-2/h3,5,10H,4,6-7H2,1-2H3,(H,16,17);1-2H3/b5-3-;/t10-;/m0./s1
InChIKeyDBCFXZVZQQZRAM-MEDGODRVSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide (CID 144753386) is ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide is C/C=C\C1=C(C)CCC[C@@H]1NC(=O)C(F)(F)F.CC.
What is the InChIKey of ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide?
The InChIKey is DBCFXZVZQQZRAM-MEDGODRVSA-N. The full InChI is InChI=1S/C12H16F3NO.C2H6/c1-3-5-9-8(2)6-4-7-10(9)16-11(17)12(13,14)15;1-2/h3,5,10H,4,6-7H2,1-2H3,(H,16,17);1-2H3/b5-3-;/t10-;/m0./s1.
What are the key properties of ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide?
ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-[(1S)-3-methyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 144753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).