tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid

C10H18FNO2 — CID 166789898

IUPACtert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CC[C@H](F)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)12(9(13)14)8-5-4-7(11)6-8/h7-8H,4-6H2,1-3H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyQAYADPBJORDNBU-JGVFFNPUSA-N
MW203.26 g/mol
LogP2.66
Rot. Bonds1

About tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid

tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid (PubChem CID 166789898) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
PubChem CID166789898
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nametert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CC[C@H](F)C1
InChIInChI=1S/C10H18FNO2/c1-10(2,3)12(9(13)14)8-5-4-7(11)6-8/h7-8H,4-6H2,1-3H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyQAYADPBJORDNBU-JGVFFNPUSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid (CID 166789898) is tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CC[C@H](F)C1.
What is the InChIKey of tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
The InChIKey is QAYADPBJORDNBU-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)12(9(13)14)8-5-4-7(11)6-8/h7-8H,4-6H2,1-3H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid has a molecular weight of 203.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid is sourced from PubChem (CID 166789898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).