[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate

C17H24FNO3 — CID 174740968

IUPAC[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate
SMILESCCC(OC)(c1ccccc1F)[C@H]1CCCC[C@@H]1OC(N)=O
InChIInChI=1S/C17H24FNO3/c1-3-17(21-2,12-8-4-6-10-14(12)18)13-9-5-7-11-15(13)22-16(19)20/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3,(H2,19,20)/t13-,15-,17?/m0/s1
InChIKeyAKCUZLOVFJRNIC-JENVPCQVSA-N
MW309.38 g/mol
LogP3.73
Rot. Bonds5

About [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate

[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate (PubChem CID 174740968) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate
PubChem CID174740968
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate
SMILESCCC(OC)(c1ccccc1F)[C@H]1CCCC[C@@H]1OC(N)=O
InChIInChI=1S/C17H24FNO3/c1-3-17(21-2,12-8-4-6-10-14(12)18)13-9-5-7-11-15(13)22-16(19)20/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3,(H2,19,20)/t13-,15-,17?/m0/s1
InChIKeyAKCUZLOVFJRNIC-JENVPCQVSA-N
XLogP3.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-[1-(2-iodophenyl)-1-methoxypropyl]cyclohexyl] carbamate
CID 175287155
2-(cyclopropylmethylamino)-2-(2-fluorophenyl)butanamide
CID 112677148
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
CID 112679495
3-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599087
N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide
CID 66709730
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
[(1R,2R)-2-(pyridin-2-ylamino)cyclohexyl] carbamate
CID 175008602
2-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599072
[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
CID 45155689
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
2-(2-fluorophenyl)-2-(methylamino)butanamide
CID 112677135

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate?
The IUPAC name of [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate (CID 174740968) is [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate.
What is the SMILES notation for [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate?
The canonical SMILES for [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate is CCC(OC)(c1ccccc1F)[C@H]1CCCC[C@@H]1OC(N)=O.
What is the InChIKey of [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate?
The InChIKey is AKCUZLOVFJRNIC-JENVPCQVSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-3-17(21-2,12-8-4-6-10-14(12)18)13-9-5-7-11-15(13)22-16(19)20/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3,(H2,19,20)/t13-,15-,17?/m0/s1.
What are the key properties of [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate?
[(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate has a molecular weight of 309.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[1-(2-fluorophenyl)-1-methoxypropyl]cyclohexyl] carbamate is sourced from PubChem (CID 174740968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).