tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate

C13H24FNO2 — CID 123291711

IUPACtert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate
SMILESCCC(F)=C[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H24FNO2/c1-7-10(14)8-11(9(2)3)15-12(16)17-13(4,5)6/h8-9,11H,7H2,1-6H3,(H,15,16)/t11-/m1/s1
InChIKeyYRDHCIUFLFZDBX-LLVKDONJSA-N
MW245.34 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate

tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate (PubChem CID 123291711) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate
PubChem CID123291711
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Nametert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate
SMILESCCC(F)=C[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H24FNO2/c1-7-10(14)8-11(9(2)3)15-12(16)17-13(4,5)6/h8-9,11H,7H2,1-6H3,(H,15,16)/t11-/m1/s1
InChIKeyYRDHCIUFLFZDBX-LLVKDONJSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
ethyl (Z,5S)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate
CID 17748053
tert-butyl N-[(Z,3S)-6-cyano-4-fluoro-2-methylhex-4-en-3-yl]carbamate
CID 102588732
Tert-butyl (4-methylpent-1-en-3-yl)carbamate
CID 13905154
Tert-butyl N-[(3S)-4-methylpent-1-EN-3-YL]carbamate
CID 13905155
Tert-butyl (5-methylhex-1-en-3-yl)carbamate
CID 13985400
tert-butyl N-[(3S)-4-fluoro-2-methylhex-5-en-3-yl]carbamate
CID 102278749
tert-butyl N-[(E)-1-fluoro-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-en-2-yl]carbamate
CID 13109090
tert-butyl N-[(2E)-5,5-difluoroocta-2,7-dien-4-yl]carbamate
CID 15021210
N-Boc-1-fluoropent-4-EN-2-amine
CID 20508337
tert-butyl N-(1,1-difluoropent-4-en-2-yl)carbamate
CID 20508345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate (CID 123291711) is tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate is CCC(F)=C[C@@H](NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate?
The InChIKey is YRDHCIUFLFZDBX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-7-10(14)8-11(9(2)3)15-12(16)17-13(4,5)6/h8-9,11H,7H2,1-6H3,(H,15,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate?
tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate has a molecular weight of 245.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-5-fluoro-2-methylhept-4-en-3-yl]carbamate is sourced from PubChem (CID 123291711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).