1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide

C12H22FNO — CID 167284691

IUPAC1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C12H22FNO/c1-8(2)9(11(3,4)5)14-10(15)12(13)6-7-12/h8-9H,6-7H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyGZAYOLLOZNAUKC-VIFPVBQESA-N
MW215.31 g/mol
LogP2.68
Rot. Bonds3

About 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide

1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide (PubChem CID 167284691) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide
PubChem CID167284691
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C12H22FNO/c1-8(2)9(11(3,4)5)14-10(15)12(13)6-7-12/h8-9H,6-7H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyGZAYOLLOZNAUKC-VIFPVBQESA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide (CID 167284691) is 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide is CC(C)[C@H](NC(=O)C1(F)CC1)C(C)(C)C.
What is the InChIKey of 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is GZAYOLLOZNAUKC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22FNO/c1-8(2)9(11(3,4)5)14-10(15)12(13)6-7-12/h8-9H,6-7H2,1-5H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 215.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167284691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).