1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine

C11H14FNS — CID 84781889

IUPAC1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine
SMILESNC1(CCSc2cccc(F)c2)CC1
InChIInChI=1S/C11H14FNS/c12-9-2-1-3-10(8-9)14-7-6-11(13)4-5-11/h1-3,8H,4-7,13H2
InChIKeyCVRSRFSYZWTPNQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine

1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine (PubChem CID 84781889) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine
PubChem CID84781889
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine
SMILESNC1(CCSc2cccc(F)c2)CC1
InChIInChI=1S/C11H14FNS/c12-9-2-1-3-10(8-9)14-7-6-11(13)4-5-11/h1-3,8H,4-7,13H2
InChIKeyCVRSRFSYZWTPNQ-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
CID 66071413
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
4-[3-(3-fluorophenyl)sulfanylpropyl]aniline
CID 113384450
1-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845770
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-fluoro-3-prop-2-enylsulfanylbenzene
CID 91656198
[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84801438
1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105236361
1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657909
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
N'-cyclopropyl-2-(3-fluorophenyl)sulfanylethanimidamide
CID 66070262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine (CID 84781889) is 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine is NC1(CCSc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine?
The InChIKey is CVRSRFSYZWTPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-9-2-1-3-10(8-9)14-7-6-11(13)4-5-11/h1-3,8H,4-7,13H2.
What are the key properties of 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine?
1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)sulfanylethyl]cyclopropan-1-amine is sourced from PubChem (CID 84781889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).