(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid

C10H14FNO2 — CID 68714061

IUPAC(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid
SMILESO=C(O)NC12CC3CC1CC(F)(C3)C2
InChIInChI=1S/C10H14FNO2/c11-9-2-6-1-7(4-9)10(3-6,5-9)12-8(13)14/h6-7,12H,1-5H2,(H,13,14)
InChIKeyUSZDDKYBOFRGLY-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.92
Rot. Bonds1

About (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid

(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid (PubChem CID 68714061) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid.

Molecular Properties

Compound Name(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid
PubChem CID68714061
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid
SMILESO=C(O)NC12CC3CC1CC(F)(C3)C2
InChIInChI=1S/C10H14FNO2/c11-9-2-6-1-7(4-9)10(3-6,5-9)12-8(13)14/h6-7,12H,1-5H2,(H,13,14)
InChIKeyUSZDDKYBOFRGLY-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(hydroxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl]carbamic acid
CID 141189897
(3-fluoro-1-adamantyl)-methylcarbamic acid
CID 57371772
tert-butyl N-(1-phenylmethoxy-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
CID 67017894
1-fluoro-3-(trifluoromethyl)adamantane;prop-2-enoic acid
CID 175603286
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 151824416
1-fluoro-3-(trifluoromethyl)adamantane
CID 13401036
(5R,7R)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-fluoroadamantane-1-carboxamide
CID 100908597
(5R,7R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-fluoroadamantane-1-carboxamide
CID 100612770
1'-fluorospiro[1,3-dioxolane-2,4'-adamantane]
CID 91619929
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride
CID 163445637
dimethyl 5-fluoroadamantane-1,3-dicarboxylate
CID 57406556

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid?
The IUPAC name of (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid (CID 68714061) is (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid.
What is the SMILES notation for (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid?
The canonical SMILES for (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid is O=C(O)NC12CC3CC1CC(F)(C3)C2.
What is the InChIKey of (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid?
The InChIKey is USZDDKYBOFRGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-9-2-6-1-7(4-9)10(3-6,5-9)12-8(13)14/h6-7,12H,1-5H2,(H,13,14).
What are the key properties of (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid?
(1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid has a molecular weight of 199.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-tricyclo[3.3.1.03,7]nonanyl)carbamic acid is sourced from PubChem (CID 68714061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).