trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile

C9H11FN2O2 — CID 135077336

IUPACtrans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile
SMILESN#C[C@@H]1C[C@]1(F)C(=O)N1CCOCC1
InChIInChI=1S/C9H11FN2O2/c10-9(5-7(9)6-11)8(13)12-1-3-14-4-2-12/h7H,1-5H2/t7-,9+/m0/s1
InChIKeyREBMDKDRGKHOPT-IONNQARKSA-N
MW198.20 g/mol
LogP0.10
Rot. Bonds1

About trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile

trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 135077336) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile
PubChem CID135077336
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Nametrans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile
SMILESN#C[C@@H]1C[C@]1(F)C(=O)N1CCOCC1
InChIInChI=1S/C9H11FN2O2/c10-9(5-7(9)6-11)8(13)12-1-3-14-4-2-12/h7H,1-5H2/t7-,9+/m0/s1
InChIKeyREBMDKDRGKHOPT-IONNQARKSA-N
XLogP0.10
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-1-methylcyclopropyl)-morpholin-4-ylmethanone
CID 130854846
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
morpholin-4-yl-[(1S,8S)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98113240
N-ethynyl-N-methylmorpholine-4-carboxamide
CID 70106574
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carbonitrile
CID 48940006
(3-chloro-1-adamantyl)-morpholin-4-ylmethanone
CID 2836077
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
CID 136747595
CID 136747595
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
methyl morpholine-4-carboxylate
CID 12575354

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile (CID 135077336) is trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile is N#C[C@@H]1C[C@]1(F)C(=O)N1CCOCC1.
What is the InChIKey of trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is REBMDKDRGKHOPT-IONNQARKSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-9(5-7(9)6-11)8(13)12-1-3-14-4-2-12/h7H,1-5H2/t7-,9+/m0/s1.
What are the key properties of trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile?
trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 198.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-fluoro-2-(morpholine-4-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 135077336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).