(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid

C11H18F3NO3 — CID 143059711

IUPAC(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
SMILESC1CN[C@H](COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17NO.C2HF3O2/c1-2-9(10-5-1)7-11-6-8-3-4-8;3-2(4,5)1(6)7/h8-10H,1-7H2;(H,6,7)/t9-;/m0./s1
InChIKeyPCUOEYDGMNTYHR-FVGYRXGTSA-N
MW269.26 g/mol
LogP1.80
Rot. Bonds4

About (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid

(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 143059711) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID143059711
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
SMILESC1CN[C@H](COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17NO.C2HF3O2/c1-2-9(10-5-1)7-11-6-8-3-4-8;3-2(4,5)1(6)7/h8-10H,1-7H2;(H,6,7)/t9-;/m0./s1
InChIKeyPCUOEYDGMNTYHR-FVGYRXGTSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 118295093
[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
CID 146310866
(2S)-3-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-2-methylpropanoic acid
CID 154936293
3-[[(2S,4S)-4-(trifluoromethyl)pyrrolidin-2-yl]methoxy]propanoic acid
CID 170199036
2-[[(1R)-3,3-difluorocyclopentyl]amino]ethyl cyclopropanecarboxylate
CID 174623148
2-[(3,3-Difluorocyclopentyl)amino]ethyl cyclopropanecarboxylate
CID 174623149
[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
CID 174931825
2-{[(2,2-Difluorocyclopropyl)methoxy]methyl}pyrrolidine hydrochloride
CID 126845123
2-[(2,2-Difluorocyclopropyl)methoxymethyl]pyrrolidine
CID 126845124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid (CID 143059711) is (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid is C1CN[C@H](COCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is PCUOEYDGMNTYHR-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H17NO.C2HF3O2/c1-2-9(10-5-1)7-11-6-8-3-4-8;3-2(4,5)1(6)7/h8-10H,1-7H2;(H,6,7)/t9-;/m0./s1.
What are the key properties of (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid?
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 269.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxymethyl)pyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 143059711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).