(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol

C9H16FNO — CID 177009395

IUPAC(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol
SMILESCCN1CC/C(=C/F)[C@H]1[C@H](C)O
InChIInChI=1S/C9H16FNO/c1-3-11-5-4-8(6-10)9(11)7(2)12/h6-7,9,12H,3-5H2,1-2H3/b8-6-/t7-,9+/m0/s1
InChIKeyMRHUGYKMDYERBK-DQMOMPLJSA-N
MW173.23 g/mol
LogP1.31
Rot. Bonds2

About (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol

(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol (PubChem CID 177009395) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol
PubChem CID177009395
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol
SMILESCCN1CC/C(=C/F)[C@H]1[C@H](C)O
InChIInChI=1S/C9H16FNO/c1-3-11-5-4-8(6-10)9(11)7(2)12/h6-7,9,12H,3-5H2,1-2H3/b8-6-/t7-,9+/m0/s1
InChIKeyMRHUGYKMDYERBK-DQMOMPLJSA-N
XLogP1.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575204
[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163598880
[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163659245
(4Z)-4-(fluoromethylidene)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 166984384
[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 172577713
(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 176664030
(3Z)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 177009166
(3Z)-1-ethyl-3-(fluoromethylidene)-2-(1-methoxyethyl)pyrrolidine
CID 177009224
(2S,3E)-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177009261
(2S,3E)-3-(fluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009290
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009364
(3E)-3-(fluoromethylidene)-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177009370

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol (CID 177009395) is (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol is CCN1CC/C(=C/F)[C@H]1[C@H](C)O.
What is the InChIKey of (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol?
The InChIKey is MRHUGYKMDYERBK-DQMOMPLJSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-11-5-4-8(6-10)9(11)7(2)12/h6-7,9,12H,3-5H2,1-2H3/b8-6-/t7-,9+/m0/s1.
What are the key properties of (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol?
(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol has a molecular weight of 173.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 177009395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).